Thank you for the perfect answer, Alejandro.
I have been Googling the subject since this morning and missed the CALC
documentation entirely.
The keyword "CALC COL centric = 1 c -" did the job!
All the best.
Em qua., 21 de dez. de 2022 às 16:40, Alejandro Buschiazzo <
ale...@pasteur.edu.uy> escreve
Hi AndreI think you can use SFTOOLS. Check it with the documentation (cause not sure exactly), but after reading your mtz, you can use the command CALC. This calculates lots of stuff, and even has some builtin functions, including the one you want (which I think can be called with a “c”).somethin
Hi,
Is there a way to label centric and acentric reflections in the .mtz file
and output an additional column, let's say, with values 0 (acentric) and 1
(centric), similar to R_free flagging?
With the keyword CENTRIC_ONLY, CAD does something similar but only outputs
centric reflections without ad
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